1-[3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]phenyl]-3-(2-piperidin-1-ylethyl)urea

C24H33N9O — CID 142900468

IUPAC1-[3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]phenyl]-3-(2-piperidin-1-ylethyl)urea
SMILESCc1cnc(Nc2cccc(NC(=O)NCCN3CCCCC3)c2)nc1NCCc1cnc[nH]1
InChIInChI=1S/C24H33N9O/c1-18-15-28-23(32-22(18)26-9-8-21-16-25-17-29-21)30-19-6-5-7-20(14-19)31-24(34)27-10-13-33-11-3-2-4-12-33/h5-7,14-17H,2-4,8-13H2,1H3,(H,25,29)(H2,27,31,34)(H2,26,28,30,32)
InChIKeyKUZHEXOBSMLFNS-UHFFFAOYSA-N
MW463.59 g/mol
LogP3.51
Rot. Bonds10

About 1-[3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]phenyl]-3-(2-piperidin-1-ylethyl)urea

1-[3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]phenyl]-3-(2-piperidin-1-ylethyl)urea (PubChem CID 142900468) has the molecular formula C24H33N9O and a molecular weight of 463.59 g/mol. Its IUPAC name is 1-[3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]phenyl]-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]phenyl]-3-(2-piperidin-1-ylethyl)urea
PubChem CID142900468
Molecular FormulaC24H33N9O
Molecular Weight463.59 g/mol
Exact Mass463.28
IUPAC Name1-[3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]phenyl]-3-(2-piperidin-1-ylethyl)urea
SMILESCc1cnc(Nc2cccc(NC(=O)NCCN3CCCCC3)c2)nc1NCCc1cnc[nH]1
InChIInChI=1S/C24H33N9O/c1-18-15-28-23(32-22(18)26-9-8-21-16-25-17-29-21)30-19-6-5-7-20(14-19)31-24(34)27-10-13-33-11-3-2-4-12-33/h5-7,14-17H,2-4,8-13H2,1H3,(H,25,29)(H2,27,31,34)(H2,26,28,30,32)
InChIKeyKUZHEXOBSMLFNS-UHFFFAOYSA-N
XLogP3.51
TPSA122.89 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 53.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 1-[3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]phenyl]-3-(2-piperidin-1-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 10364570
CID 89198507
CID 89198507
5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine
CID 141089686
1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231550
CID 89198453
CID 89198453
[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]anilino]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanol
CID 142900396
CID 89198479
CID 89198479
2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-6-methylbenzoic acid
CID 65231525
N-[3-[[5-methyl-4-[3-[(3,4,5-trichlorothiophene-2-carbonyl)amino]propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
CID 142900361
N,N,2-trimethyl-4-(2-piperidin-1-ylethylcarbamoylamino)benzamide
CID 71874325
copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride
CID 139185524
3-[[5-bromo-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidin-4-yl]amino]propanoic acid
CID 68819718

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]phenyl]-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-[3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]phenyl]-3-(2-piperidin-1-ylethyl)urea (CID 142900468) is 1-[3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]phenyl]-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-[3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]phenyl]-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-[3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]phenyl]-3-(2-piperidin-1-ylethyl)urea is Cc1cnc(Nc2cccc(NC(=O)NCCN3CCCCC3)c2)nc1NCCc1cnc[nH]1.
What is the InChIKey of 1-[3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]phenyl]-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is KUZHEXOBSMLFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N9O/c1-18-15-28-23(32-22(18)26-9-8-21-16-25-17-29-21)30-19-6-5-7-20(14-19)31-24(34)27-10-13-33-11-3-2-4-12-33/h5-7,14-17H,2-4,8-13H2,1H3,(H,25,29)(H2,27,31,34)(H2,26,28,30,32).
What are the key properties of 1-[3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]phenyl]-3-(2-piperidin-1-ylethyl)urea?
1-[3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]phenyl]-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 463.59 g/mol, XLogP of 3.51, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]phenyl]-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 142900468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).